N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide

C30H40N4O6 — CID 69199050

About N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide

N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide (PubChem CID 69199050) has the molecular formula C30H40N4O6 and a molecular weight of 552.67 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide
• PubChem CID: 69199050
• Molecular Formula: C30H40N4O6
• Molecular Weight: 552.67 g/mol
• Exact Mass: 552.29
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide
• SMILES: COC1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)Nc1ccccc1O2
• InChI: InChI=1S/C30H40N4O6/c1-17(2)14-23(29(37)34-24(15-18(3)4)28(36)32-21-12-13-39-30(21)38-5)33-27(35)19-10-11-26-22(16-19)31-20-8-6-7-9-25(20)40-26/h6-11,16-18,21,23-24,30-31H,12-15H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-,23-,24-,30?/m0/s1
• InChIKey: CAUYBLHJQRIPBF-XIIWGJLCSA-N
• XLogP: 4.09
• TPSA: 127.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.67
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide (CID 69199050) is N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide is COC1OCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)Nc1ccccc1O2.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide?

The InChIKey is CAUYBLHJQRIPBF-XIIWGJLCSA-N. The full InChI is InChI=1S/C30H40N4O6/c1-17(2)14-23(29(37)34-24(15-18(3)4)28(36)32-21-12-13-39-30(21)38-5)33-27(35)19-10-11-26-22(16-19)31-20-8-6-7-9-25(20)40-26/h6-11,16-18,21,23-24,30-31H,12-15H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-,23-,24-,30?/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide?

N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide has a molecular weight of 552.67 g/mol, XLogP of 4.09, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-10H-phenoxazine-2-carboxamide is sourced from PubChem (CID 69199050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).